6-[(5E)-5-[(2-chloranyl-5-nitro-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid

Systemtic Name: 6-[(5E)-5-[(2-chloranyl-5-nitro-phenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid Openeye Name: 6-[(5E)-5-[(2-chloro-5-nitro-phenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]hexanoic acid CAS Name: 6-[(5E)-5-[(2-chloro-5-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]hexanoic acid IUPAC Name: 6-[(5E)-5-[(2-chloro-5-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid Traditional Name: 6-[(5E)-5-(2-chloro-5-nitro-benzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]hexanoic acid Formula: C16H15ClN2O5S2 MolecularWeight: 414.8837

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])C=C2C(=O)N(C(=S)S2)CCCCCC(=O)O)Cl

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])/C=C/2\C(=O)N(C(=S)S2)CCCCCC(=O)O)Cl

InChI

InChI=1S/C16H15ClN2O5S2/c17-12-6-5-11(19(23)24)8-10(12)9-13-15(22)18(16(25)26-13)7-3-1-2-4-14(20)21/h5-6,8-9H,1-4,7H2,(H,20,21)/b13-9+